new index	atom name	original index
1	C	12
2	C	11
3	C	13
4	C	10
5	C	9
6	C	4
7	C	2
8	C	8
9	C	3
10	C	7
11	N	5
12	O	1
13	O	6
14	H	21
15	H	20
16	H	22
17	H	19
18	H	18
19	H	17
20	H	15
21	H	16
22	H	14
